4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione

C7H9N3OS — CID 83871405

IUPAC4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione
SMILESNCc1nc(=S)[nH]c2c1COC2
InChIInChI=1S/C7H9N3OS/c8-1-5-4-2-11-3-6(4)10-7(12)9-5/h1-3,8H2,(H,9,10,12)
InChIKeyFVCXHCKYNLHGBC-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.63
Rot. Bonds1

About 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione

4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione (PubChem CID 83871405) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione
PubChem CID83871405
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione
SMILESNCc1nc(=S)[nH]c2c1COC2
InChIInChI=1S/C7H9N3OS/c8-1-5-4-2-11-3-6(4)10-7(12)9-5/h1-3,8H2,(H,9,10,12)
InChIKeyFVCXHCKYNLHGBC-UHFFFAOYSA-N
XLogP0.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidin-2-one
CID 83862284
4-(2-aminoethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione
CID 83871390
4-(methylaminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione
CID 83871400
4-(Aminomethyl)-1,5,6,8-tetrahydropyrano[3,4-d]pyrimidine-2-thione
CID 83871531

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione?
The IUPAC name of 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione (CID 83871405) is 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione.
What is the SMILES notation for 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione?
The canonical SMILES for 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione is NCc1nc(=S)[nH]c2c1COC2.
What is the InChIKey of 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione?
The InChIKey is FVCXHCKYNLHGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c8-1-5-4-2-11-3-6(4)10-7(12)9-5/h1-3,8H2,(H,9,10,12).
What are the key properties of 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione?
4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione has a molecular weight of 183.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,7-dihydro-1H-furo[3,4-d]pyrimidine-2-thione is sourced from PubChem (CID 83871405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).